2,2-bis(4-tert-butylphenyl)acetaldehyde

C22H28O — CID 19958795

IUPAC2,2-bis(4-tert-butylphenyl)acetaldehyde
SMILESCC(C)(C)c1ccc(C(C=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28O/c1-21(2,3)18-11-7-16(8-12-18)20(15-23)17-9-13-19(14-10-17)22(4,5)6/h7-15,20H,1-6H3
InChIKeyWUWDMFHIONPMGN-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.61
Rot. Bonds3

About 2,2-bis(4-tert-butylphenyl)acetaldehyde

2,2-bis(4-tert-butylphenyl)acetaldehyde (PubChem CID 19958795) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,2-bis(4-tert-butylphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-bis(4-tert-butylphenyl)acetaldehyde
PubChem CID19958795
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Name2,2-bis(4-tert-butylphenyl)acetaldehyde
SMILESCC(C)(C)c1ccc(C(C=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28O/c1-21(2,3)18-11-7-16(8-12-18)20(15-23)17-9-13-19(14-10-17)22(4,5)6/h7-15,20H,1-6H3
InChIKeyWUWDMFHIONPMGN-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-tert-butylphenyl)acetaldehyde?
The IUPAC name of 2,2-bis(4-tert-butylphenyl)acetaldehyde (CID 19958795) is 2,2-bis(4-tert-butylphenyl)acetaldehyde.
What is the SMILES notation for 2,2-bis(4-tert-butylphenyl)acetaldehyde?
The canonical SMILES for 2,2-bis(4-tert-butylphenyl)acetaldehyde is CC(C)(C)c1ccc(C(C=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-tert-butylphenyl)acetaldehyde?
The InChIKey is WUWDMFHIONPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-21(2,3)18-11-7-16(8-12-18)20(15-23)17-9-13-19(14-10-17)22(4,5)6/h7-15,20H,1-6H3.
What are the key properties of 2,2-bis(4-tert-butylphenyl)acetaldehyde?
2,2-bis(4-tert-butylphenyl)acetaldehyde has a molecular weight of 308.46 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-tert-butylphenyl)acetaldehyde is sourced from PubChem (CID 19958795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).